CID 165362411

Dtxsid701347248

Structural Information

Molecular Formula
C10H3F13O3
SMILES
C(C(=O)/C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)/F)C(=O)O
InChI
InChI=1S/C10H3F13O3/c11-4(2(24)1-3(25)26)5(12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1H2,(H,25,26)/b5-4+
InChIKey
LHHAFMRLUSFWCV-SNAWJCMRSA-N
Compound name
(E)-4,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-oxodec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.98746 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.99474 157.0
[M+Na]+ 440.97668 165.5
[M-H]- 416.98018 164.7
[M+NH4]+ 436.02128 167.7
[M+K]+ 456.95062 169.0
[M+H-H2O]+ 400.98472 157.7
[M+HCOO]- 462.98566 169.3
[M+CH3COO]- 477.00131 220.8
[M+Na-2H]- 438.96213 168.9
[M]+ 417.98691 153.3
[M]- 417.98801 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.